SCHEMBL5559464

SCHEMBL5559464

Cc1c(CC(=O)NC(C)C)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PTGS2 P35354 17/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5559021 0.92 PTGS2 (0.51) TP53MAPTPTGS2CNR1CNR2
SCHEMBL5559246 0.92 PTGS2 (0.43) TP53MAPTPTGS2CNR1CNR2
SCHEMBL5559027 0.92 PTGS2 (0.51) TP53MAPTPTGS2CNR1CNR2
SCHEMBL5559763 0.91 AKR1C3 (0.41) TP53MAPTPTGS2
SCHEMBL5559047 0.90 PTGS2 (0.42) TP53MAPTPTGS2CNR1CNR2
SCHEMBL5554691 0.90 PTGS2 (0.43) TP53MAPTPTGS2CNR1CNR2
SCHEMBL6423105 0.89 PTGS2 (0.46) TP53MAPTPTGS2CNR1CNR2
SCHEMBL5559097 0.89 PTGS2 (0.52) PTGS2
SCHEMBL5558614 0.89 PTGS2 (0.43) PTGS2
SCHEMBL5813423 0.88 CASP3 (0.43) TP53MAPTPTGS2CNR1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 US disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 TP53 4851/4885MAPT 4214/4885PTGS2 3/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 TP53 4785/4885MAPT 4401/4885PTGS2 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.